论文摘要
Compounds with visible-light-induced photoluminescence are particularly attractive in acting as the emitting components of light-emitting diodes and fluorescent probes for biological applications. A new complex [Zn（NCS）3（MQ）]（MQ+ = N-methyl-4,4?-bipyridinium） with an isolated molecular structure has been hydrothermally synthesized and characterized by single-crystal X-ray diffraction, elemental analysis, IR spectroscopy and solid-state photoluminescent determination. Crystal data: C14H11N5S3Zn, Mr = 410.83, monoclinic, space group P21/c, a = 8.809（5）, b = 13.138（7）, c = 15.580（9） ?, b = 104.433（10）°, V = 1746.2（17） ?3, Z = 4, D–c = 1.563 g×cm3, μ = 1.769 mm–1, F（000） = 832, the final R = 0.0376 and wR = 0.1243 for 2850 observed reflections with I > 2s（I）. In the crystal structure, the zinc atom is tetrahedrally coordinated by one MQ+ ligand and three NCS– groups to yield a tetrahedral configuration. The bond length of Zn–NMQ is clearly shorter than those found in reported Zn（Ⅱ） complexes of 4,4?-bipy. The isolated units are joined by C–H···S interactions to generate a 2D hydrogen-bonding network. This compound displays visible light-induced photoluminescence, which originates from both intraligand charge-transfer of the MQ+ ligand and NCS–→MQ+ charge-transfer according to a density of states（DOS） calculation. Moreover, its emission band shows a clear blue shift compared with those of halide compounds.
论文目录
文章来源
类型: 期刊论文
作者: 杜明秀,杨琛,蔡丽珍,郭国聪
来源: Chinese Journal of Structural Chemistry 2019年02期
年度: 2019
分类: 工程科技Ⅰ辑
专业: 化学
单位: State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences
基金: supported by the National Natural Science Foundation of China(21221001,and 21471149),Key Research Program of Frontier Science,CAS(QYZDJ-SSW-SLH028)
分类号: O641.4
DOI: 10.14102/j.cnki.0254-5861.2011-2048
页码: 317-324
总页数: 8
文件大小: 692K
下载量: 15
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